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Last pushed: 10 months ago
Short Description
Unofficial Docker Image for VOTCA
Full Description



Unofficial Docker Image for VOTCA

This is an unofficial Docker image for VOTCA with
GROMACS.

VOTCA is a software package which focuses on the analysis of molecular dynamics
data, the development of systematic coarse-graining techniques as well as
methods used for simulating microscopic charge and exciton transport in
disordered semiconductors. Its C++ core is interfaced to bash and perl
flow-control scripts.

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the
Newtonian equations of motion for systems with hundreds to millions of particles.

Usage

$ docker run -it with/votca
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